0 B12R2.1081 Fc1cccc2ccccc12 T0541 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 T10023 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 T0404 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.1081 Oc1cccc2cccnc12 T7887 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.1081 Oc1ccnc2ccccc12 T4272 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 T2291 [0,1,0,0,0,0|0,0,1]=2 6 B13R2.328 O=c1cc(O)c2ccccc2o1 PDK0015 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.342 C[n+]1cccc2c(N)cccc21 T8760 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.342 O=C1CCCc2c(O)cccc21 T5662 [0,1,0,0,0,0|1,0,2]=4 9 B13R2.371 O=C1C=CC(=O)c2ccccc21 T7048 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.371 Oc1ccc(Cl)c2cccnc12 T0509 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.1613 C#Cc1cccc2ccccc12 T7427 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.5179 O=c1ccoc2cc(O)ccc12 T7345 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [1,0,1,0,0,0|1,0,1]=4 14 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,0,1,0,0,0|1,0,0]=3 15 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,0,1,0,0,0|1,0,0]=3 16 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,0,1,0,0,0|1,0,1]=4 17 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.61 O=C(O)c1ncccc1O T5986 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.121 COc1ccccc1\C=C\C=O T7452 [0,1,1,0,0,0|2,0,0]=4 20 B12R1.125 O=C(O)\C=C\c1ccccc1O T7991 [0,1,1,0,0,0|2,0,0]=4 21 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,1,0,0,0|1,0,0]=3 22 B12R1.261 O=C(O)c1cccnc1C(=O)O T4096 [0,1,1,0,0,0|2,0,0]=4 23 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,1,0,0,0,0|1,0,0]=3 24 B12R2.24 Oc1ccc2ccccc2c1 T0671 [1,1,0,0,0,0|1,0,0]=3 25 B14R2.4513 O=c1ccc2ccc(O)c(O)c2o1 T2851 [0,2,0,0,0,0|1,0,0]=3 26 B14R2.7724 CC1=C2C=CC=NC2=C(O)C(Br)=C1 T17097 [0,2,0,0,0,0|0,0,0]=2 27 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O T0449 [0,2,0,0,0,0|1,0,1]=4 28 B14R2.7724 O=C1C=C(Cl)C(=O)c2ccccc21 T7075 [0,2,0,0,0,0|1,0,1]=4 29 B14R2.7724 O=C1C=C(O)C(=O)c2ccccc21 T2969 [0,2,0,0,0,0|1,0,1]=4 30 B14R2.7724 Oc1c(Br)cc(Br)c2cccnc12 T0701 [0,2,0,0,0,0|0,0,0]=2 31 B14R2.7724 Oc1c(Cl)cc(Cl)c2cccnc12 T0500 [0,2,0,0,0,0|0,0,0]=2 32 B14R2.7724 Oc1c(I)cc(Cl)c2cccnc12 T0876 [0,2,0,0,0,0|0,0,0]=2 33 B14R2.7724 Oc1c(I)cc(I)c2cccnc12 T0513 [0,2,0,0,0,0|0,0,0]=2 34 B14R2.142 O=Cc1ccc2cccc(O)c2n1 T2290 [0,2,0,0,0,0|0,0,0]=2 35 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 Fr12277 [0,2,0,0,0,0|2,0,0]=4 36 B14R2.1146 COc1cc(=O)oc2ccccc12 Fr12290 [0,2,0,0,0,0|2,0,0]=4 37 B14R2.28480 O=C1C=COC2=CC(O)=CC(O)=C12 T5S1805 [0,2,0,0,0,0|2,0,0]=4 38 B14R2.29365 O=c1cc(O)c2ccc(O)cc2o1 T4137 [0,2,0,0,0,0|2,0,0]=4 39 B14R2.8051 O=C1C=CC(=O)c2c(O)cccc21 T4010 [0,2,0,0,0,0|1,0,0]=3 40 B14R2.1131 O=Nc1ccc(O)c2ncccc12 T7691 [0,2,0,0,0,0|0,0,0]=2 41 B14R2.31359 O=C(O)c1ccnc2ccccc12 T4745 [0,2,0,0,0,0|2,0,0]=4 42 B14R3.164 C1=Cc2cccc3cccc1c23 T7914 [0,1,0,1,0,0|2,0,0]=4 43 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T20536 [1,0,0,0,1,0|2,0,0]=4